Caldariellaquinone
TL;DR: Caldariellaquinone (CAS 72698-36-3) is a chemical compound with molecular formula C39H66O2S2 and molecular weight 630.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-methylsulfanyl-1-benzothiophene-4,7-dione
Also Known As: Caldariellaquinone, 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-(methylsulfanyl)-1-benzothiophene-4,7-dione, 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-methylsulfanyl-1-benzothiophene-4,7-dione, 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-methylsulfanyl-1-, 6-(3,7,11,15,19,23-Hexamethyltetracosyl)-5-methylthiobenzo(b)thiophen-4,7-quinone
| Molecular Formula | C39H66O2S2 |
|---|---|
| Molecular Weight | 630.45 g/mol |
| LogP | 16.4 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 24 |
| Exact Mass | 630.45044 |
| Heavy Atoms | 43 |
| Complexity | 833.0 |
Chemical Identifiers
| CAS Number | 72698-36-3 |
|---|---|
| SMILES | CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC1=C(C(=O)C2=C(C1=O)SC=C2)SC |
| InChIKey | GHRWXPXOBGRSHG-UHFFFAOYSA-N |
Product Overview
Caldariellaquinone (CAS 72698-36-3), with molecular formula C39H66O2S2 and molecular weight 630.45 g/mol. IUPAC: 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-methylsulfanyl-1-benzothiophene-4,7-dione.
Chemical Property Profile of Caldariellaquinone
Property Insights of Caldariellaquinone
The XLogP value of 16.4 indicates that Caldariellaquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Caldariellaquinone. Following Lipinski's Rule of Five, Caldariellaquinone has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Caldariellaquinone?
The CAS number of Caldariellaquinone is 72698-36-3.
What is the molecular formula of Caldariellaquinone?
The molecular formula of Caldariellaquinone is C39H66O2S2.
What is the molecular weight of Caldariellaquinone?
The molecular weight of Caldariellaquinone is 630.45 g/mol.
Where can I buy Caldariellaquinone?
You can request a quote for Caldariellaquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caldariellaquinone?
Yes, KEHONG BIO provides custom synthesis services for Caldariellaquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.